SCHEMBL7500231

SCHEMBL7500231

COc1ccc(CC[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
F2R P25116 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7498599 0.95 KMT2A (0.46) ITGB3ITGA2BKMT2AHTTF2R
SCHEMBL7492120 0.90 ITGB3 (0.47) ITGB3ITGA2BKMT2AF2RNPC1
SCHEMBL7498497 0.89 ITGB3 (0.48) ITGB3ITGA2BKMT2AF2RRAB9A
SCHEMBL7496757 0.89 ITGB3 (0.47) ITGB3ITGA2BF2RNPC1RAB9A
SCHEMBL7501795 0.89 ITGB3 (0.54) ITGB3ITGA2BKMT2AF2RNPC1
Hydrochloric Acid SCHEMBL7498638 0.88 ITGB3 (0.58) ITGB3ITGA2BF2R
SCHEMBL7846014 0.87 ITGB3 (0.51) ITGB3ITGA2BKMT2AF2RTSHR
SCHEMBL7443415 0.86 KMT2A (0.43) KMT2AHTTNPC1RAB9ATSHR
SCHEMBL7500224 0.86 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL7503555 0.86 ITGB3 (0.47) ITGB3ITGA2BKMT2AF2RKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed